ethyl 2-[[4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoyl]amino]benzoate CAS Name: 2-[[[4-[(3R)-3-methyl-1-piperidinyl]-3-nitrophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-[[4-[(3R)-3-methylpiperidino]-3-nitro-benzoyl]amino]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-30-22(27)17-8-4-5-9-18(17)23-21(26)16-10-11-19(20(13-16)25(28)29)24-12-6-7-15(2)14-24/h4-5,8-11,13,15H,3,6-7,12,14H2,1-2H3,(H,23,26)/t15-/m1/s1